#compchem

GitHub - polaris-hub/auroris : Curate datasets with ease.
▻https://github.com/polaris-hub/auroris

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#compchem #auris #dataset #curation

chembl/ChEMBL_Structure_Pipeline: ChEMBL database structure pipelines
▻https://github.com/chembl/ChEMBL_Structure_Pipeline

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#compchem #chemble #pipeline #preparation #modeling

Useful data preparation package for cheminformatics
▻https://iwatobipen.wordpress.com/2025/05/11/useful-data-preparation-package-for-cheminformatics-rdkit-aurois-cheminformatics/#respond

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#compchem #auris #dataset #curation

Integration #chembl #rest #API and Claude with #mcp
▻https://iwatobipen.wordpress.com/2025/05/04/integration-chembl-rest-api-and-claude-with-mcp-cheminformatic

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#compchem #LLMs